⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL921200 | 0.80 | — | — | |
| SCHEMBL5026369 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL25044991 | 0.62 | — | — | |
| SCHEMBL6920724 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL17173260 | 0.60 | — | — | |
| SCHEMBL17658854 | 0.60 | SOS1 (0.32) | — | |
| SCHEMBL17658851 | 0.60 | — | — | |
| SCHEMBL30568842 | 0.60 | — | — | |
| SCHEMBL30568847 | 0.60 | — | — | |
| SCHEMBL13910225 | 0.59 | SOS1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5352591-A | Intermediates for enzyme inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-10-04 | — | — | US | disclosed |
| US-5229523-A | Glycosidase inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-07-20 | — | — | US | disclosed |
| WO-1992021655-A2 | 2-METHYL-5-HYDROXYMETHYL- AND 2,5-DIMETHYL-3,4-DIHYDROXYPYRROLIDINES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1992-12-10 | — | — | WO | disclosed |